AG002UYS

2786-51-8 | 5-chloro-1,3-benzothiazole

AG002UYS

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CAS Number	2786-51-8
Catalog Number	AG002UYS(AGN-PC-0019B7)
Chemical Name	5-chloro-1,3-benzothiazole
IUPAC Name	5-chloro-1,3-benzothiazole
InChI	InChI=1S/C7H4ClNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChI Key	YTSFYTDPSSFCLU-UHFFFAOYSA-N
MDL Number	MFCD00227392
Molecular Formula	C7H4ClNS
Molecular Weight	169.6314
SMILES	ClC=1C=CC2=C(N=CS2)C1
Synonyms	5-Chlorobenzo[d]thiazole, 2786-51-8, 5-CHLOROBENZOTHIAZOLE, 5-chloro-1,3-benzothiazole, BENZOTHIAZOLE, 5-CHLORO-, 5-CHLORO-1,3-BENZOTHIAZOL, AK-86852, Chlorbenzothiazol, 5-Chlorobenzothiazol;, 5-Chlor-benzthiazol;, 5-chlorobenzothiazole;, 5-Chlor-benzothiazol;, 6-Chlorobenzothiazole;, PubChem21704, 5-chloro-benzothiazole;, Benzothiazole,5-chloro-, KSC560G6T, SCHEMBL584449, 5-chloranyl-1,3-benzothiazole, CTK4G0369, DTXSID60559706, YTSFYTDPSSFCLU-UHFFFAOYSA-N, ACT12071, KS-00000F4I, ZINC2559776, ANW-58227, EBD280204, FCH840604, MFCD00227392, AKOS006272200, AB04988, AJ-40368, AS-10172, CJ-09484, OR315141, AB0057089, AX8103604, DB-067841, TC-146972, 4CH-021499, CS-0063830, FT-0688526, ST24044672, J3.625.777F, A819221, 5-Chlorobenzo[d]thiazole, 97% - 10MG 10mg, Benzothiazole, 5-chloro- (6CI,7CI,8CI,9CI),

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.975g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.626g/mol
Monoisotopic Mass	168.975g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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